Density functional study of surface-supported planar magic Ag nanoclusters

Ya Ping Chiu*, Ching Ming Wei, Chia Seng Chang

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

12 引文 斯高帕斯(Scopus)

摘要

Experimentally, self-organized Ag planar clusters have been observed on the periodic template found on the Pb quantum islands, which are grown on the Si(111) surface. These planar clusters register a remarkable abundance variation at some specific atomic numbers and possess enhanced stability. They are thus denoted as two-dimensional magic Ag nanoclusters (or nanopucks). In this work, detailed calculations based on ab initio density functional theory are made to illuminate how the size and shape effects related to electronic confinement influence the sequence of these two-dimensional Ag nanostructures. The simulation results demonstrate that the evolution of a sequence of planar magic Ag clusters is strongly correlated with their electronic structures. Meanwhile, the role of substrate in the formation of magic Ag clusters is also examined. The symmetry and size of the periodic pattern on the substrate have helped to build up the distinguishable geometric structures in experiment. Further analysis of the related electronic and geometrical properties of these clusters not only explains the occurrence and sequence of the magic numbers but also helps to elucidate the mechanism of their formation.

原文英語
文章編號115402
期刊Physical Review B - Condensed Matter and Materials Physics
78
發行號11
DOIs
出版狀態已發佈 - 2008 9月 4
對外發佈

ASJC Scopus subject areas

  • 電子、光磁材料
  • 凝聚態物理學

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